methyl 3-[(3S)-3-hydroxy-2-oxooxolan-3-yl]propanoate

C8H12O5 — CID 15449666

IUPACmethyl 3-[(3S)-3-hydroxy-2-oxooxolan-3-yl]propanoate
SMILESCOC(=O)CC[C@]1(O)CCOC1=O
InChIInChI=1S/C8H12O5/c1-12-6(9)2-3-8(11)4-5-13-7(8)10/h11H,2-5H2,1H3/t8-/m0/s1
InChIKeyQNDKIZTYJZYXGV-QMMMGPOBSA-N
MW188.18 g/mol
LogP-0.38
Rot. Bonds3

About methyl 3-[(3S)-3-hydroxy-2-oxooxolan-3-yl]propanoate

methyl 3-[(3S)-3-hydroxy-2-oxooxolan-3-yl]propanoate (PubChem CID 15449666) has the molecular formula C8H12O5 and a molecular weight of 188.18 g/mol. Its IUPAC name is methyl 3-[(3S)-3-hydroxy-2-oxooxolan-3-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[(3S)-3-hydroxy-2-oxooxolan-3-yl]propanoate
PubChem CID15449666
Molecular FormulaC8H12O5
Molecular Weight188.18 g/mol
Exact Mass188.07
IUPAC Namemethyl 3-[(3S)-3-hydroxy-2-oxooxolan-3-yl]propanoate
SMILESCOC(=O)CC[C@]1(O)CCOC1=O
InChIInChI=1S/C8H12O5/c1-12-6(9)2-3-8(11)4-5-13-7(8)10/h11H,2-5H2,1H3/t8-/m0/s1
InChIKeyQNDKIZTYJZYXGV-QMMMGPOBSA-N
XLogP-0.38
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3S)-3-hydroxy-2-oxooxolan-3-yl]propanoate?
The IUPAC name of methyl 3-[(3S)-3-hydroxy-2-oxooxolan-3-yl]propanoate (CID 15449666) is methyl 3-[(3S)-3-hydroxy-2-oxooxolan-3-yl]propanoate.
What is the SMILES notation for methyl 3-[(3S)-3-hydroxy-2-oxooxolan-3-yl]propanoate?
The canonical SMILES for methyl 3-[(3S)-3-hydroxy-2-oxooxolan-3-yl]propanoate is COC(=O)CC[C@]1(O)CCOC1=O.
What is the InChIKey of methyl 3-[(3S)-3-hydroxy-2-oxooxolan-3-yl]propanoate?
The InChIKey is QNDKIZTYJZYXGV-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H12O5/c1-12-6(9)2-3-8(11)4-5-13-7(8)10/h11H,2-5H2,1H3/t8-/m0/s1.
What are the key properties of methyl 3-[(3S)-3-hydroxy-2-oxooxolan-3-yl]propanoate?
methyl 3-[(3S)-3-hydroxy-2-oxooxolan-3-yl]propanoate has a molecular weight of 188.18 g/mol, XLogP of -0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3S)-3-hydroxy-2-oxooxolan-3-yl]propanoate is sourced from PubChem (CID 15449666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).